SCHEMBL28526737

SCHEMBL28526737

Cc1cc2c(ccc3ccccc32)c(C)c1C.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.52
▸ CYP2A6 P11509 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HPRT1 P00492 4/20 0.50
▸ ALDH1A1 P00352 6/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL599072 0.98 CYP1A2 (0.54) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL28513236 0.96 HPRT1 (0.56) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL15910812 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL31235727 0.81 HPRT1 (0.64) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL598522 0.81 HPRT1 (0.64) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL1760677 0.79 ALDH1A1 (0.62) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL28910586 0.79 TSHR (0.75) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL15910811 0.78 HSD17B10 (0.50) CYP1A2CYP2A6TSHRHSD17B10HPGD
SCHEMBL2121166 0.78 ALDH1A1 (0.46) CYP1A2CYP2A6TSHRHSD17B10HPGD
Fluoride SCHEMBL3424780 0.78 ALDH1A1 (0.60) CYP1A2CYP2A6TSHRHSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112490394-B Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2022-03-25 — — CN claimed
CN-112490394-A Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2021-03-12 — — CN claimed
CN-112490394-B Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2022-03-25 — — CN disclosed
CN-112490394-A Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2021-03-12 — — CN disclosed
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